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4-Methyl-2-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-thiazolecarboxylic acid, ethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

4-Methyl-2-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-thiazolecarboxylic acid, ethyl ester
SpectraBase Compound ID IixqnxOTyF1
InChI InChI=1S/C14H11F3N2O4S2/c1-3-23-12(20)11-7(2)18-13(25-11)24-10-5-4-8(14(15,16)17)6-9(10)19(21)22/h4-6H,3H2,1-2H3
InChIKey XAHGQAHNIRYJGO-UHFFFAOYSA-N
Mol Weight 392.37 g/mol
Molecular Formula C14H11F3N2O4S2
Exact Mass 392.011234 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7qVUK6V1pID
Name 4-METHYL-2-[(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)THIO]-5-THIAZOLECARBOXYLIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F3N2O4S2
InChI InChI=1S/C14H11F3N2O4S2/c1-3-23-12(20)11-7(2)18-13(25-11)24-10-5-4-8(14(15,16)17)6-9(10)19(21)22/h4-6H,3H2,1-2H3
InChIKey XAHGQAHNIRYJGO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 98-100C
Molecular Weight 392.38
Solvent CDCl3; Reference=TMS; Temperature 297K